P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.109796 33.776965 11.498984 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12469000 Y=0.14157000 Z=0.40969000
          MULT= 8          ISPLIT= 8
      -1: X=0.87531000 Y=0.85843000 Z=0.59031000
      -1: X=0.62469000 Y=0.14157000 Z=0.09031000
      -1: X=0.37531000 Y=0.85843000 Z=0.90969000
      -1: X=0.37531000 Y=0.64157000 Z=0.90969000
      -1: X=0.62469000 Y=0.35843000 Z=0.09031000
      -1: X=0.87531000 Y=0.64157000 Z=0.59031000
      -1: X=0.12469000 Y=0.35843000 Z=0.40969000
Mo         NPT=  781  R0=.000010000 RMT= 2.24        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.23480000 Y=0.25000000 Z=0.58010000
          MULT= 4          ISPLIT= 8
      -2: X=0.76520000 Y=0.75000000 Z=0.41990000
      -2: X=0.73480000 Y=0.25000000 Z=0.91990000
      -2: X=0.26520000 Y=0.75000000 Z=0.08010000
Cl         NPT=  781  R0=.000100000 RMT= 2.02        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.24509000 Y=0.15429000 Z=0.11870000
          MULT= 8          ISPLIT= 8
      -3: X=0.75491000 Y=0.84571000 Z=0.88130000
      -3: X=0.74509000 Y=0.15429000 Z=0.38130000
      -3: X=0.25491000 Y=0.84571000 Z=0.61870000
      -3: X=0.25491000 Y=0.65429000 Z=0.61870000
      -3: X=0.74509000 Y=0.34571000 Z=0.38130000
      -3: X=0.75491000 Y=0.65429000 Z=0.88130000
      -3: X=0.24509000 Y=0.34571000 Z=0.11870000
Cl         NPT=  781  R0=.000100000 RMT= 2.02        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00228000 Y=0.15383000 Z=0.69820000
          MULT= 8          ISPLIT= 8
      -4: X=0.99772000 Y=0.84617000 Z=0.30180000
      -4: X=0.50228000 Y=0.15383000 Z=0.80180000
      -4: X=0.49772000 Y=0.84617000 Z=0.19820000
      -4: X=0.49772000 Y=0.65383000 Z=0.19820000
      -4: X=0.50228000 Y=0.34617000 Z=0.80180000
      -4: X=0.99772000 Y=0.65383000 Z=0.30180000
      -4: X=0.00228000 Y=0.34617000 Z=0.69820000
Cl         NPT=  781  R0=.000100000 RMT= 2.02        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.26050000 Y=0.55855000 Z=0.08570000
          MULT= 8          ISPLIT= 8
      -5: X=0.73950000 Y=0.44145000 Z=0.91430000
      -5: X=0.76050000 Y=0.55855000 Z=0.41430000
      -5: X=0.23950000 Y=0.44145000 Z=0.58570000
      -5: X=0.23950000 Y=0.05855000 Z=0.58570000
      -5: X=0.76050000 Y=0.94145000 Z=0.41430000
      -5: X=0.73950000 Y=0.05855000 Z=0.91430000
      -5: X=0.26050000 Y=0.94145000 Z=0.08570000
Cl         NPT=  781  R0=.000100000 RMT= 2.02        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.01230000 Y=0.05720000 Z=0.23400000
          MULT= 8          ISPLIT= 8
      -6: X=0.98770000 Y=0.94280000 Z=0.76600000
      -6: X=0.51230000 Y=0.05720000 Z=0.26600000
      -6: X=0.48770000 Y=0.94280000 Z=0.73400000
      -6: X=0.48770000 Y=0.55720000 Z=0.73400000
      -6: X=0.51230000 Y=0.44280000 Z=0.26600000
      -6: X=0.98770000 Y=0.55720000 Z=0.76600000
      -6: X=0.01230000 Y=0.44280000 Z=0.23400000
Cl         NPT=  781  R0=.000100000 RMT= 2.02        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.01480000 Y=0.25000000 Z=0.23990000
          MULT= 4          ISPLIT= 8
      -7: X=0.98520000 Y=0.75000000 Z=0.76010000
      -7: X=0.51480000 Y=0.25000000 Z=0.26010000
      -7: X=0.48520000 Y=0.75000000 Z=0.73990000
Cl         NPT=  781  R0=.000100000 RMT= 2.02        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000